N-[[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methyl]-1-phenylmethanamine

C23H23N3 — CID 40542024

IUPACN-[[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methyl]-1-phenylmethanamine
SMILESc1ccc(CNCN2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C23H23N3/c1-4-10-19(11-5-1)17-24-18-26-23(21-14-8-3-9-15-21)16-22(25-26)20-12-6-2-7-13-20/h1-15,23-24H,16-18H2/t23-/m0/s1
InChIKeyQLNYXSZSBGQDLK-QHCPKHFHSA-N
MW341.46 g/mol
LogP4.59
Rot. Bonds6

About N-[[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methyl]-1-phenylmethanamine

N-[[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methyl]-1-phenylmethanamine (PubChem CID 40542024) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methyl]-1-phenylmethanamine
PubChem CID40542024
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC NameN-[[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methyl]-1-phenylmethanamine
SMILESc1ccc(CNCN2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C23H23N3/c1-4-10-19(11-5-1)17-24-18-26-23(21-14-8-3-9-15-21)16-22(25-26)20-12-6-2-7-13-20/h1-15,23-24H,16-18H2/t23-/m0/s1
InChIKeyQLNYXSZSBGQDLK-QHCPKHFHSA-N
XLogP4.59
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methyl]-1-phenylmethanamine (CID 40542024) is N-[[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methyl]-1-phenylmethanamine is c1ccc(CNCN2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1.
What is the InChIKey of N-[[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methyl]-1-phenylmethanamine?
The InChIKey is QLNYXSZSBGQDLK-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23N3/c1-4-10-19(11-5-1)17-24-18-26-23(21-14-8-3-9-15-21)16-22(25-26)20-12-6-2-7-13-20/h1-15,23-24H,16-18H2/t23-/m0/s1.
What are the key properties of N-[[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methyl]-1-phenylmethanamine?
N-[[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methyl]-1-phenylmethanamine has a molecular weight of 341.46 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 40542024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).